N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase编号: 483569
• 分子式: C14H24N2O3
• 平均质量: 268.35196
• 单一同位素质量: 268.17869264
• SMILES: N1(C(C(=O)NC2(COC)CCCC2)C)C(=O)CCC1
• Canonical SMILES: COCC1(CCCC1)NC(=O)C(N1CCCC1=O)C
• InChI: InChI=1S/C14H24N2O3/c1-11(16-9-5-6-12(16)17)13(18)15-14(10-19-2)7-3-4-8-14/h11H,3-10H2,1-2H3,(H,15,18)
• InChIKey: OOJZLNJRSORMQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC传统名: N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)propanamide
• 别名: N-[1-(methoxymethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)propanamide

理论计算性质

JChem

• Acid pKa: 13.696175
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.3390428
• LogD (pH = 7.4): 0.33904263
• Log P: 0.33904284
• 摩尔折射率: 71.7983 cm^3
• 极化性: 28.19876 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: -0.04
• LOG S: -2.43
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 5